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2,2',3,3',5,6-Hexachlorobiphenyl
[CAS# 52704-70-8]

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Identification
Name 2,2',3,3',5,6-Hexachlorobiphenyl
Synonyms Dimethyl[(Trimethylsilyl)Methyl]Silyl 2-Methylcyclohexyl Ether; 1,1'-Biphenyl, 2,2',3,3',5,6-Hexachloro-; 2,2',3,3',5,6-Hexachloro-1,1'-Biphenyl
Molecular Structure CAS#: 52704-70-8, 2,2',3,3',5,6-Hexachlorobiphenyl
Molecular Formula C12H4Cl6
Molecular Weight 360.88
CAS Registry Number 52704-70-8
SMILES C1=C(C(=C(C(=C1Cl)Cl)C2=CC=CC(=C2Cl)Cl)Cl)Cl
InChI 1S/C12H4Cl6/c13-6-3-1-2-5(10(6)16)9-11(17)7(14)4-8(15)12(9)18/h1-4H
InChIKey RVWLHPJFOKUPNM-UHFFFAOYSA-N
Properties
Density 1.594g/cm3 (Cal.)
Boiling point 387.371°C at 760 mmHg (Cal.)
Flash point 186.685°C (Cal.)
References
(1) Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493
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List of Reports Available for 2,2',3,3',5,6-Hexachlorobiphenyl
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